Basic information
- CAS
59436-77-0- Standard SMILES
CN1CC2CC1CN2- InChIKey
YFDRYBUJCGOYCQ-UHFFFAOYSA-N- Molecular formula
- C6H12N2
- Average molar mass
- 112.17 g/mol
- Monoisotopic mass
- 112.10004838
Names & identifiers
- Preferred name
- 2-Methyl-2,5-diazabicyclo[2.2.1]heptane
- IUPAC
- 2-methyl-2,5-diazabicyclo[2.2.1]heptane
- English name
- 2,5-Diazabicyclo[2.2.1]heptane, 2-methyl-
- Molecular formula
- C6H12N2
- Molecular weight
- 112.17
Names & synonyms
2-METHYL-2,5-DIAZABICYCLO[2.2.1]HEPTANE59436-77-02-Methyl-2,5-diaza-bicyclo[2.2.1]heptaneMFCD224163572,5-DIAZABICYCLO[2.2.1]HEPTANE, 2-METHYL-(1R,4R)-5-Methyl-2,5-diazabicyclo[2.2.1]heptaneSCHEMBL56015SCHEMBL109530SCHEMBL3930285SCHEMBL5260720SCHEMBL18280096DTXSID40436824
Show more names
(1S,4S)-(+)-2-METHYL-2,5-DIAZA-BICYCLO[2.2.1]HEPTANE 2CF3COOH
YFDRYBUJCGOYCQ-UHFFFAOYSA-NAKOS015850860MB06040SB19865SB199042-methyl-2,5-diazabicyclo-(2.2.1)heptaneCS-0047654EN300-112143
Database identifiers
- CAS
59436-77-0- PubChem CID
- 10219403
- DTXSID
DTXSID40436824
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 15.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 103
Physicochemical properties
- Boiling point
- 159.6 · 159.6±8.0 °C(Predicted)
- Density
- 0.998 · 0.998±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- pka
- 10.48 · 10.48±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers19 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
越林试剂021-62960152 · [email protected]
合肥恩立医药科技有限公司0551-66399836 18955197623 · [email protected]
杭州迈世腾药物科技有限公司0571-82896630 18969958410 · [email protected]
武汉开诺医药科技有限公司18040571231/1402788087
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
南京博米尔生物科技有限公司025-83453382-8005 · [email protected]
上海特伯化学科技有限公司021-58170097 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
Related reactions
9 records
Compound notes
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